N-hexyl-2-phenyl-1,3-thiazolidine-4-carboxamide

C16H24N2OS — CID 3064951

IUPACN-hexyl-2-phenyl-1,3-thiazolidine-4-carboxamide
SMILESCCCCCCNC(=O)C1CSC(c2ccccc2)N1
InChIInChI=1S/C16H24N2OS/c1-2-3-4-8-11-17-15(19)14-12-20-16(18-14)13-9-6-5-7-10-13/h5-7,9-10,14,16,18H,2-4,8,11-12H2,1H3,(H,17,19)
InChIKeyJGVCCPHVWIJACW-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.09
Rot. Bonds7

About N-hexyl-2-phenyl-1,3-thiazolidine-4-carboxamide

N-hexyl-2-phenyl-1,3-thiazolidine-4-carboxamide (PubChem CID 3064951) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-hexyl-2-phenyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-hexyl-2-phenyl-1,3-thiazolidine-4-carboxamide
PubChem CID3064951
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-hexyl-2-phenyl-1,3-thiazolidine-4-carboxamide
SMILESCCCCCCNC(=O)C1CSC(c2ccccc2)N1
InChIInChI=1S/C16H24N2OS/c1-2-3-4-8-11-17-15(19)14-12-20-16(18-14)13-9-6-5-7-10-13/h5-7,9-10,14,16,18H,2-4,8,11-12H2,1H3,(H,17,19)
InChIKeyJGVCCPHVWIJACW-UHFFFAOYSA-N
XLogP3.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hexyl-2-phenyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-hexyl-2-phenyl-1,3-thiazolidine-4-carboxamide (CID 3064951) is N-hexyl-2-phenyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-hexyl-2-phenyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-hexyl-2-phenyl-1,3-thiazolidine-4-carboxamide is CCCCCCNC(=O)C1CSC(c2ccccc2)N1.
What is the InChIKey of N-hexyl-2-phenyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is JGVCCPHVWIJACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-2-3-4-8-11-17-15(19)14-12-20-16(18-14)13-9-6-5-7-10-13/h5-7,9-10,14,16,18H,2-4,8,11-12H2,1H3,(H,17,19).
What are the key properties of N-hexyl-2-phenyl-1,3-thiazolidine-4-carboxamide?
N-hexyl-2-phenyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 292.45 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-phenyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 3064951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).